(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H9ClN2O5S MolecularWeight: 364.76036

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)Cl

InChI

InChI=1S/C15H9ClN2O5S/c16-9-4-8(5-10-13(9)22-7-21-10)15(19)20-6-12-17-14(18-23-12)11-2-1-3-24-11/h1-5H,6-7H2